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Size effects on water adsorbed on hydrophobic probes at the nanometric scale

Autor
Calero, C.; Gordillo, C.; Marti, J.
Tipus d'activitat
Article en revista
Revista
Journal of chemical physics
Data de publicació
2013-06-03
Volum
138
Número
21
Pàgina inicial
214702-1
Pàgina final
214702-8
DOI
https://doi.org/10.1063/1.4807092 Obrir en finestra nova
Projecte finançador
Grup de Simulació per Ordinador en Matèria Condensada - 2009SGR1003
SIMULACION A NANOESCALA DE FASES CONDENSADAS: SALES FUNDIDAS, DISOLUCIONES IONICAS Y LÍQUIDOS MOLECULARES
Repositori
http://hdl.handle.net/2117/19503 Obrir en finestra nova
URL
http://jcp.aip.org/resource/1/jcpsa6/v138/i21/p214702_s1 Obrir en finestra nova
Resum
Molecular dynamics simulations of liquid water at ambient conditions, adsorbed at the external walls of (n,n) single-walled armchair carbon nanotubes have been performed for n = 5, 9, 12. The comparison with the case of water adsorbed on graphene has also been included. The analysis of Helmholtz free energies reveals qualitatively different ranges of thermodynamical stability, eventually starting at a given threshold surface density. We observed that, in the framework of the force field consider...
Citació
Calero, C.; Gordillo, C.; Marti, J. Size effects on water adsorbed on hydrophobic probes at the nanometric scale. "Journal of chemical physics", 03 Juny 2013, vol. 138, núm. 21, p. 214702-1-214702-8.
Grup de recerca
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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